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The Journal of Chemical Physics|July 23, 2026
Practical considerations for finite concentration molecular dynamics simulationsXiaoxu Ruan, Fabrice Roncoroni, David Prendergast, et al.
Physical Chemistry Chemical Physics : PCCP|May 9, 2023
Unsupervised learning of representative local atomic arrangements in molecular dynamics dataFabrice Roncoroni, Ana Sanz-Matias, Siddharth Sundararaman, et al.
Nature Communications|February 15, 2024
Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4)2 in THFAna Sanz Matias, Fabrice Roncoroni, Siddharth Sundararaman, et al.
Soft Matter|October 1, 2020
The hierarchical bulk molecular structure of poly(acrylamide) hydrogels: beyond the fishing netYvonne Gombert, Fabrice Roncoroni, Antoni Sánchez-Ferrer, et al.
Frontiers in Chemistry|May 13, 2024
Solar enhanced oxygen evolution reaction with transition metal tellurideHarish Singh, Taishi Higuchi-Roos, Fabrice Roncoroni, et al.
The Journal of Chemical Physics|February 25, 2026
Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfacesFabrice Roncoroni, Abrar Faiyad, Yichen Li, et al.
ACS Applied Nano Materials|July 3, 2025
Cooperative Role of Mixed Solvent in the Evaporation-Induced Self-Assembly of Polypeptoid NanocrystalsXubo Luo, Fabrice Roncoroni, Tianyi Yu, et al.
Small Methods|September 15, 2023
Influence of X-Ray Irradiation During Photoemission Studies on Halide Perovskite-Based DevicesMaryline Ralaiarisoa, Johannes Frisch, Mathieu Frégnaux, et al.
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